USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 708 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot -140:sc= 0.653 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.694 X(o=1.3,f=1.1) USER MOD Set 2.1: A 3 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.39) USER MOD Single : A 1 GLY N :NH3+ 162:sc= 1.3 (180deg=1.07) USER MOD Single : A 2 HIS : no HD1:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 2.41 (180deg=2.28) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -165:sc= -0.0415 (180deg=-0.327) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 49 GLN :FLIP amide:sc= -1.19 F(o=-2.8!,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 67 SER OG : rot -89:sc= 1.19 USER MOD Single : A 73 GLN :FLIP amide:sc=-0.00627 F(o=-0.97,f=-0.0063) USER MOD Single : A 78 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 82 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 83 THR OG1 : rot 54:sc= 0.0518 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 1.45 (180deg=1.3) USER MOD Single : A 86 ASN : amide:sc= -1.17! C(o=-1.2!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.155 -15.207 0.968 1.00 0.00 N ATOM 2 CA GLY A 1 13.273 -14.790 0.118 1.00 0.00 C ATOM 3 C GLY A 1 12.765 -14.110 -1.108 1.00 0.00 C ATOM 4 O GLY A 1 11.860 -14.645 -1.766 1.00 0.00 O ATOM 0 H1 GLY A 1 12.482 -15.927 1.643 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.790 -14.385 1.489 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.398 -15.605 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.928 -14.116 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.871 -15.658 -0.160 1.00 0.00 H new ATOM 10 N HIS A 2 13.345 -12.932 -1.422 1.00 0.00 N ATOM 11 CA HIS A 2 12.931 -12.064 -2.542 1.00 0.00 C ATOM 12 C HIS A 2 11.555 -11.466 -2.253 1.00 0.00 C ATOM 13 O HIS A 2 10.672 -12.141 -1.744 1.00 0.00 O ATOM 14 CB HIS A 2 12.964 -12.820 -3.908 1.00 0.00 C ATOM 15 CG HIS A 2 12.562 -11.993 -5.108 1.00 0.00 C ATOM 16 ND1 HIS A 2 13.452 -11.367 -5.950 1.00 0.00 N ATOM 17 CD2 HIS A 2 11.330 -11.706 -5.598 1.00 0.00 C ATOM 18 CE1 HIS A 2 12.757 -10.732 -6.893 1.00 0.00 C ATOM 19 NE2 HIS A 2 11.459 -10.905 -6.727 1.00 0.00 N ATOM 0 H HIS A 2 14.130 -12.551 -0.893 1.00 0.00 H new ATOM 0 HA HIS A 2 13.649 -11.248 -2.630 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.972 -13.202 -4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 2 12.303 -13.684 -3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 2 10.395 -12.046 -5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 2 13.198 -10.151 -7.690 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.708 -10.530 -7.306 1.00 0.00 H new ATOM 27 N MET A 3 11.366 -10.215 -2.558 1.00 0.00 N ATOM 28 CA MET A 3 10.098 -9.618 -2.289 1.00 0.00 C ATOM 29 C MET A 3 9.154 -9.903 -3.434 1.00 0.00 C ATOM 30 O MET A 3 9.266 -9.336 -4.509 1.00 0.00 O ATOM 31 CB MET A 3 10.217 -8.125 -2.001 1.00 0.00 C ATOM 32 CG MET A 3 8.935 -7.508 -1.476 1.00 0.00 C ATOM 33 SD MET A 3 9.156 -5.793 -0.961 1.00 0.00 S ATOM 34 CE MET A 3 7.559 -5.440 -0.225 1.00 0.00 C ATOM 0 H MET A 3 12.060 -9.602 -2.985 1.00 0.00 H new ATOM 0 HA MET A 3 9.689 -10.063 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.013 -7.965 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.512 -7.609 -2.915 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.169 -7.556 -2.250 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.572 -8.094 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.415 -4.361 -0.169 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.771 -5.880 -0.836 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.519 -5.864 0.779 1.00 0.00 H new ATOM 44 N GLU A 4 8.272 -10.820 -3.195 1.00 0.00 N ATOM 45 CA GLU A 4 7.290 -11.257 -4.151 1.00 0.00 C ATOM 46 C GLU A 4 6.167 -10.265 -4.170 1.00 0.00 C ATOM 47 O GLU A 4 5.397 -10.197 -3.227 1.00 0.00 O ATOM 48 CB GLU A 4 6.764 -12.639 -3.750 1.00 0.00 C ATOM 49 CG GLU A 4 5.629 -13.175 -4.611 1.00 0.00 C ATOM 50 CD GLU A 4 5.077 -14.465 -4.066 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.459 -14.453 -2.980 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.280 -15.524 -4.677 1.00 0.00 O ATOM 0 H GLU A 4 8.209 -11.305 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 4 7.735 -11.326 -5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.591 -13.349 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.424 -12.595 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.832 -12.433 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.988 -13.334 -5.628 1.00 0.00 H new ATOM 59 N LEU A 5 6.118 -9.454 -5.189 1.00 0.00 N ATOM 60 CA LEU A 5 5.066 -8.488 -5.315 1.00 0.00 C ATOM 61 C LEU A 5 3.850 -9.158 -5.890 1.00 0.00 C ATOM 62 O LEU A 5 3.943 -9.883 -6.884 1.00 0.00 O ATOM 63 CB LEU A 5 5.474 -7.289 -6.193 1.00 0.00 C ATOM 64 CG LEU A 5 6.717 -6.484 -5.762 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.737 -6.245 -4.275 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.009 -7.112 -6.248 1.00 0.00 C ATOM 0 H LEU A 5 6.799 -9.444 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 5 4.849 -8.096 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.644 -7.655 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.628 -6.603 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 5 6.643 -5.511 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.628 -5.675 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.848 -5.685 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.750 -7.202 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.854 -6.507 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.101 -8.118 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.002 -7.163 -7.337 1.00 0.00 H new ATOM 78 N PHE A 6 2.744 -8.956 -5.270 1.00 0.00 N ATOM 79 CA PHE A 6 1.521 -9.543 -5.695 1.00 0.00 C ATOM 80 C PHE A 6 0.381 -8.547 -5.633 1.00 0.00 C ATOM 81 O PHE A 6 0.320 -7.710 -4.733 1.00 0.00 O ATOM 82 CB PHE A 6 1.201 -10.821 -4.900 1.00 0.00 C ATOM 83 CG PHE A 6 1.356 -10.719 -3.414 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.384 -10.119 -2.646 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.468 -11.241 -2.790 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.514 -10.035 -1.274 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.611 -11.163 -1.426 1.00 0.00 C ATOM 88 CZ PHE A 6 1.634 -10.559 -0.662 1.00 0.00 C ATOM 0 H PHE A 6 2.660 -8.369 -4.440 1.00 0.00 H new ATOM 0 HA PHE A 6 1.643 -9.835 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.175 -11.116 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.847 -11.622 -5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.493 -9.708 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.237 -11.717 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.257 -9.562 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.489 -11.575 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.745 -10.497 0.410 1.00 0.00 H new ATOM 98 N PRO A 7 -0.506 -8.594 -6.605 1.00 0.00 N ATOM 99 CA PRO A 7 -1.651 -7.717 -6.649 1.00 0.00 C ATOM 100 C PRO A 7 -2.753 -8.157 -5.705 1.00 0.00 C ATOM 101 O PRO A 7 -3.151 -9.324 -5.675 1.00 0.00 O ATOM 102 CB PRO A 7 -2.137 -7.838 -8.074 1.00 0.00 C ATOM 103 CG PRO A 7 -1.722 -9.211 -8.501 1.00 0.00 C ATOM 104 CD PRO A 7 -0.457 -9.511 -7.757 1.00 0.00 C ATOM 0 HA PRO A 7 -1.387 -6.703 -6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.218 -7.714 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.692 -7.074 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.495 -9.943 -8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.560 -9.252 -9.578 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.417 -10.553 -7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.423 -9.332 -8.375 1.00 0.00 H new ATOM 112 N VAL A 8 -3.199 -7.250 -4.913 1.00 0.00 N ATOM 113 CA VAL A 8 -4.308 -7.484 -4.054 1.00 0.00 C ATOM 114 C VAL A 8 -5.388 -6.509 -4.430 1.00 0.00 C ATOM 115 O VAL A 8 -5.337 -5.356 -4.030 1.00 0.00 O ATOM 116 CB VAL A 8 -3.958 -7.258 -2.555 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.093 -7.697 -1.642 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.646 -7.915 -2.172 1.00 0.00 C ATOM 0 H VAL A 8 -2.802 -6.313 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.618 -8.522 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.827 -6.185 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.812 -7.524 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.990 -7.124 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.291 -8.758 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.441 -7.732 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.712 -8.989 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.840 -7.498 -2.776 1.00 0.00 H new ATOM 128 N GLU A 9 -6.301 -6.919 -5.262 1.00 0.00 N ATOM 129 CA GLU A 9 -7.394 -6.063 -5.582 1.00 0.00 C ATOM 130 C GLU A 9 -8.360 -6.127 -4.441 1.00 0.00 C ATOM 131 O GLU A 9 -8.925 -7.192 -4.144 1.00 0.00 O ATOM 132 CB GLU A 9 -8.076 -6.449 -6.892 1.00 0.00 C ATOM 133 CG GLU A 9 -9.209 -5.509 -7.297 1.00 0.00 C ATOM 134 CD GLU A 9 -9.891 -5.931 -8.572 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.841 -6.733 -8.518 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.484 -5.471 -9.661 1.00 0.00 O ATOM 0 H GLU A 9 -6.307 -7.829 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.026 -5.048 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.331 -6.468 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.471 -7.461 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.945 -5.467 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.812 -4.501 -7.419 1.00 0.00 H new ATOM 143 N LEU A 10 -8.483 -5.047 -3.753 1.00 0.00 N ATOM 144 CA LEU A 10 -9.386 -4.993 -2.678 1.00 0.00 C ATOM 145 C LEU A 10 -10.614 -4.357 -3.224 1.00 0.00 C ATOM 146 O LEU A 10 -10.542 -3.258 -3.789 1.00 0.00 O ATOM 147 CB LEU A 10 -8.829 -4.139 -1.558 1.00 0.00 C ATOM 148 CG LEU A 10 -9.065 -4.618 -0.123 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.529 -4.909 0.144 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.193 -5.819 0.180 1.00 0.00 C ATOM 0 H LEU A 10 -7.962 -4.187 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.578 -5.985 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.754 -4.045 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.253 -3.139 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.782 -3.810 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.651 -5.246 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.115 -4.003 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.875 -5.687 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.371 -6.149 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.435 -6.628 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.144 -5.546 0.064 1.00 0.00 H new ATOM 162 N GLU A 11 -11.703 -5.024 -3.118 1.00 0.00 N ATOM 163 CA GLU A 11 -12.921 -4.490 -3.608 1.00 0.00 C ATOM 164 C GLU A 11 -13.644 -3.792 -2.476 1.00 0.00 C ATOM 165 O GLU A 11 -14.361 -4.411 -1.679 1.00 0.00 O ATOM 166 CB GLU A 11 -13.760 -5.563 -4.298 1.00 0.00 C ATOM 167 CG GLU A 11 -14.999 -5.037 -4.991 1.00 0.00 C ATOM 168 CD GLU A 11 -15.592 -6.049 -5.924 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.433 -6.861 -5.486 1.00 0.00 O ATOM 170 OE2 GLU A 11 -15.201 -6.077 -7.110 1.00 0.00 O ATOM 0 H GLU A 11 -11.777 -5.948 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.719 -3.747 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.139 -6.077 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.060 -6.305 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.740 -4.755 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.748 -4.134 -5.548 1.00 0.00 H new ATOM 177 N LYS A 12 -13.352 -2.526 -2.353 1.00 0.00 N ATOM 178 CA LYS A 12 -13.913 -1.680 -1.349 1.00 0.00 C ATOM 179 C LYS A 12 -15.138 -0.948 -1.852 1.00 0.00 C ATOM 180 O LYS A 12 -15.625 -1.173 -2.969 1.00 0.00 O ATOM 181 CB LYS A 12 -12.862 -0.673 -0.785 1.00 0.00 C ATOM 182 CG LYS A 12 -11.874 -1.279 0.192 1.00 0.00 C ATOM 183 CD LYS A 12 -12.577 -1.820 1.436 1.00 0.00 C ATOM 184 CE LYS A 12 -12.374 -0.975 2.696 1.00 0.00 C ATOM 185 NZ LYS A 12 -13.043 0.352 2.621 1.00 0.00 N ATOM 0 H LYS A 12 -12.697 -2.045 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.224 -2.330 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.310 -0.238 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.388 0.144 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.325 -2.084 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.142 -0.526 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.645 -1.894 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.219 -2.831 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.757 -1.521 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.306 -0.829 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.856 0.885 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.673 0.882 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.068 0.218 2.510 1.00 0.00 H new ATOM 199 N ASP A 13 -15.610 -0.111 -1.007 1.00 0.00 N ATOM 200 CA ASP A 13 -16.793 0.699 -1.162 1.00 0.00 C ATOM 201 C ASP A 13 -16.497 2.042 -1.848 1.00 0.00 C ATOM 202 O ASP A 13 -15.368 2.305 -2.305 1.00 0.00 O ATOM 203 CB ASP A 13 -17.312 0.966 0.243 1.00 0.00 C ATOM 204 CG ASP A 13 -16.188 1.448 1.130 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.501 0.608 1.740 1.00 0.00 O ATOM 206 OD2 ASP A 13 -15.910 2.623 1.156 1.00 0.00 O ATOM 0 H ASP A 13 -15.153 0.050 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.514 0.175 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -18.105 1.713 0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.748 0.057 0.657 1.00 0.00 H new ATOM 211 N GLU A 14 -17.523 2.893 -1.873 1.00 0.00 N ATOM 212 CA GLU A 14 -17.466 4.219 -2.484 1.00 0.00 C ATOM 213 C GLU A 14 -16.732 5.219 -1.590 1.00 0.00 C ATOM 214 O GLU A 14 -16.242 6.253 -2.060 1.00 0.00 O ATOM 215 CB GLU A 14 -18.886 4.729 -2.781 1.00 0.00 C ATOM 216 CG GLU A 14 -19.780 4.852 -1.544 1.00 0.00 C ATOM 217 CD GLU A 14 -21.160 5.371 -1.860 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.344 6.599 -1.947 1.00 0.00 O ATOM 219 OE2 GLU A 14 -22.088 4.562 -2.023 1.00 0.00 O ATOM 0 H GLU A 14 -18.431 2.676 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.910 4.129 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.816 5.704 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.361 4.054 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.866 3.876 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.304 5.518 -0.824 1.00 0.00 H new ATOM 226 N ASP A 15 -16.642 4.903 -0.318 1.00 0.00 N ATOM 227 CA ASP A 15 -15.973 5.761 0.653 1.00 0.00 C ATOM 228 C ASP A 15 -14.484 5.647 0.432 1.00 0.00 C ATOM 229 O ASP A 15 -13.742 6.621 0.547 1.00 0.00 O ATOM 230 CB ASP A 15 -16.368 5.353 2.083 1.00 0.00 C ATOM 231 CG ASP A 15 -15.676 6.129 3.176 1.00 0.00 C ATOM 232 OD1 ASP A 15 -16.160 7.211 3.539 1.00 0.00 O ATOM 233 OD2 ASP A 15 -14.652 5.649 3.734 1.00 0.00 O ATOM 0 H ASP A 15 -17.028 4.046 0.079 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.276 6.800 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.445 5.475 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.152 4.293 2.216 1.00 0.00 H new ATOM 238 N GLY A 16 -14.056 4.461 0.076 1.00 0.00 N ATOM 239 CA GLY A 16 -12.686 4.262 -0.308 1.00 0.00 C ATOM 240 C GLY A 16 -11.995 3.309 0.599 1.00 0.00 C ATOM 241 O GLY A 16 -12.442 2.176 0.774 1.00 0.00 O ATOM 0 H GLY A 16 -14.637 3.623 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.645 3.886 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.163 5.218 -0.299 1.00 0.00 H new ATOM 245 N LEU A 17 -10.907 3.731 1.168 1.00 0.00 N ATOM 246 CA LEU A 17 -10.188 2.896 2.095 1.00 0.00 C ATOM 247 C LEU A 17 -10.283 3.501 3.448 1.00 0.00 C ATOM 248 O LEU A 17 -10.726 2.862 4.406 1.00 0.00 O ATOM 249 CB LEU A 17 -8.705 2.811 1.748 1.00 0.00 C ATOM 250 CG LEU A 17 -8.349 2.510 0.322 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.848 2.458 0.167 1.00 0.00 C ATOM 252 CD2 LEU A 17 -9.009 1.235 -0.168 1.00 0.00 C ATOM 0 H LEU A 17 -10.493 4.650 1.009 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.626 1.899 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.240 3.759 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.255 2.044 2.378 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.733 3.315 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.597 2.239 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.420 3.420 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.443 1.678 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.725 1.054 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.685 0.397 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.092 1.337 -0.101 1.00 0.00 H new ATOM 264 N GLY A 18 -9.884 4.755 3.511 1.00 0.00 N ATOM 265 CA GLY A 18 -9.787 5.447 4.753 1.00 0.00 C ATOM 266 C GLY A 18 -8.616 4.952 5.549 1.00 0.00 C ATOM 267 O GLY A 18 -8.630 4.995 6.778 1.00 0.00 O ATOM 0 H GLY A 18 -9.621 5.311 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.683 6.517 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.705 5.309 5.324 1.00 0.00 H new ATOM 271 N ILE A 19 -7.597 4.455 4.857 1.00 0.00 N ATOM 272 CA ILE A 19 -6.444 3.936 5.566 1.00 0.00 C ATOM 273 C ILE A 19 -5.356 4.992 5.698 1.00 0.00 C ATOM 274 O ILE A 19 -5.485 6.109 5.183 1.00 0.00 O ATOM 275 CB ILE A 19 -5.863 2.639 4.941 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.183 2.911 3.601 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.975 1.618 4.768 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.455 1.704 3.037 1.00 0.00 C ATOM 0 H ILE A 19 -7.548 4.402 3.840 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.806 3.669 6.559 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.104 2.247 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.933 3.242 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.474 3.730 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.568 0.707 4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.413 1.388 5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.744 2.025 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.996 1.968 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.682 1.385 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.164 0.890 2.884 1.00 0.00 H new ATOM 290 N SER A 20 -4.310 4.649 6.383 1.00 0.00 N ATOM 291 CA SER A 20 -3.220 5.544 6.615 1.00 0.00 C ATOM 292 C SER A 20 -1.906 4.845 6.318 1.00 0.00 C ATOM 293 O SER A 20 -1.797 3.625 6.464 1.00 0.00 O ATOM 294 CB SER A 20 -3.268 6.029 8.061 1.00 0.00 C ATOM 295 OG SER A 20 -4.496 6.698 8.332 1.00 0.00 O ATOM 0 H SER A 20 -4.188 3.727 6.802 1.00 0.00 H new ATOM 0 HA SER A 20 -3.300 6.407 5.954 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.154 5.182 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.433 6.703 8.251 1.00 0.00 H new ATOM 0 HG SER A 20 -4.506 6.999 9.265 1.00 0.00 H new ATOM 301 N ILE A 21 -0.931 5.605 5.902 1.00 0.00 N ATOM 302 CA ILE A 21 0.376 5.085 5.557 1.00 0.00 C ATOM 303 C ILE A 21 1.414 5.725 6.440 1.00 0.00 C ATOM 304 O ILE A 21 1.160 6.780 7.030 1.00 0.00 O ATOM 305 CB ILE A 21 0.710 5.372 4.062 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.723 6.888 3.741 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.247 4.634 3.138 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.089 7.574 3.860 1.00 0.00 C ATOM 0 H ILE A 21 -1.016 6.615 5.790 1.00 0.00 H new ATOM 0 HA ILE A 21 0.375 4.005 5.707 1.00 0.00 H new ATOM 0 HB ILE A 21 1.719 4.999 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.351 7.030 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.024 7.390 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.008 4.852 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.168 3.561 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.268 4.960 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.988 8.631 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.460 7.472 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.792 7.107 3.170 1.00 0.00 H new ATOM 320 N ILE A 22 2.545 5.118 6.558 1.00 0.00 N ATOM 321 CA ILE A 22 3.597 5.713 7.302 1.00 0.00 C ATOM 322 C ILE A 22 4.835 5.836 6.442 1.00 0.00 C ATOM 323 O ILE A 22 5.210 4.895 5.733 1.00 0.00 O ATOM 324 CB ILE A 22 3.876 5.007 8.655 1.00 0.00 C ATOM 325 CG1 ILE A 22 4.949 5.759 9.462 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.245 3.548 8.460 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.206 5.188 10.838 1.00 0.00 C ATOM 0 H ILE A 22 2.763 4.210 6.148 1.00 0.00 H new ATOM 0 HA ILE A 22 3.272 6.715 7.581 1.00 0.00 H new ATOM 0 HB ILE A 22 2.952 5.028 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.882 5.752 8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.646 6.801 9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.433 3.088 9.430 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.425 3.028 7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.142 3.479 7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.975 5.777 11.338 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.287 5.220 11.423 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.542 4.155 10.746 1.00 0.00 H new ATOM 339 N GLY A 23 5.424 7.002 6.459 1.00 0.00 N ATOM 340 CA GLY A 23 6.570 7.257 5.648 1.00 0.00 C ATOM 341 C GLY A 23 7.852 6.929 6.337 1.00 0.00 C ATOM 342 O GLY A 23 8.414 7.767 7.037 1.00 0.00 O ATOM 0 H GLY A 23 5.122 7.790 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.497 6.674 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.577 8.308 5.358 1.00 0.00 H new ATOM 346 N MET A 24 8.312 5.726 6.139 1.00 0.00 N ATOM 347 CA MET A 24 9.567 5.273 6.709 1.00 0.00 C ATOM 348 C MET A 24 10.560 5.164 5.592 1.00 0.00 C ATOM 349 O MET A 24 10.233 5.469 4.443 1.00 0.00 O ATOM 350 CB MET A 24 9.410 3.913 7.419 1.00 0.00 C ATOM 351 CG MET A 24 8.361 3.886 8.525 1.00 0.00 C ATOM 352 SD MET A 24 8.677 5.074 9.852 1.00 0.00 S ATOM 353 CE MET A 24 10.240 4.473 10.492 1.00 0.00 C ATOM 0 H MET A 24 7.832 5.023 5.577 1.00 0.00 H new ATOM 0 HA MET A 24 9.905 5.986 7.461 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.153 3.158 6.675 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.372 3.627 7.843 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.382 4.091 8.091 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.318 2.883 8.949 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.433 4.925 11.465 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.197 3.389 10.597 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.042 4.739 9.803 1.00 0.00 H new ATOM 363 N GLY A 25 11.739 4.756 5.894 1.00 0.00 N ATOM 364 CA GLY A 25 12.735 4.627 4.877 1.00 0.00 C ATOM 365 C GLY A 25 13.474 3.325 4.965 1.00 0.00 C ATOM 366 O GLY A 25 14.432 3.194 5.739 1.00 0.00 O ATOM 0 H GLY A 25 12.044 4.504 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.264 4.709 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.444 5.451 4.960 1.00 0.00 H new ATOM 370 N VAL A 26 13.019 2.335 4.245 1.00 0.00 N ATOM 371 CA VAL A 26 13.738 1.089 4.190 1.00 0.00 C ATOM 372 C VAL A 26 14.611 1.038 2.923 1.00 0.00 C ATOM 373 O VAL A 26 14.290 0.425 1.891 1.00 0.00 O ATOM 374 CB VAL A 26 12.845 -0.187 4.408 1.00 0.00 C ATOM 375 CG1 VAL A 26 11.765 -0.348 3.353 1.00 0.00 C ATOM 376 CG2 VAL A 26 13.694 -1.445 4.523 1.00 0.00 C ATOM 0 H VAL A 26 12.162 2.365 3.693 1.00 0.00 H new ATOM 0 HA VAL A 26 14.405 1.061 5.052 1.00 0.00 H new ATOM 0 HB VAL A 26 12.327 -0.036 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.184 -1.247 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.107 0.521 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.227 -0.434 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.046 -2.309 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.271 -1.579 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.373 -1.349 5.370 1.00 0.00 H new ATOM 386 N GLY A 27 15.679 1.773 2.994 1.00 0.00 N ATOM 387 CA GLY A 27 16.581 1.876 1.915 1.00 0.00 C ATOM 388 C GLY A 27 17.904 2.362 2.390 1.00 0.00 C ATOM 389 O GLY A 27 18.159 2.341 3.599 1.00 0.00 O ATOM 0 H GLY A 27 15.941 2.319 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.695 0.905 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.184 2.559 1.164 1.00 0.00 H new ATOM 393 N ALA A 28 18.729 2.800 1.460 1.00 0.00 N ATOM 394 CA ALA A 28 20.065 3.319 1.704 1.00 0.00 C ATOM 395 C ALA A 28 20.986 2.276 2.321 1.00 0.00 C ATOM 396 O ALA A 28 21.709 1.592 1.606 1.00 0.00 O ATOM 397 CB ALA A 28 20.017 4.604 2.505 1.00 0.00 C ATOM 0 H ALA A 28 18.479 2.805 0.471 1.00 0.00 H new ATOM 0 HA ALA A 28 20.502 3.564 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 28 21.031 4.967 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 28 19.448 5.354 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.537 4.416 3.465 1.00 0.00 H new ATOM 403 N ASP A 29 20.923 2.121 3.620 1.00 0.00 N ATOM 404 CA ASP A 29 21.756 1.139 4.318 1.00 0.00 C ATOM 405 C ASP A 29 20.980 -0.165 4.473 1.00 0.00 C ATOM 406 O ASP A 29 21.520 -1.217 4.807 1.00 0.00 O ATOM 407 CB ASP A 29 22.213 1.674 5.675 1.00 0.00 C ATOM 408 CG ASP A 29 23.166 0.746 6.391 1.00 0.00 C ATOM 409 OD1 ASP A 29 24.382 0.769 6.088 1.00 0.00 O ATOM 410 OD2 ASP A 29 22.720 -0.001 7.286 1.00 0.00 O ATOM 0 H ASP A 29 20.305 2.658 4.228 1.00 0.00 H new ATOM 0 HA ASP A 29 22.652 0.948 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.696 2.641 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.339 1.843 6.304 1.00 0.00 H new ATOM 415 N ALA A 30 19.710 -0.079 4.212 1.00 0.00 N ATOM 416 CA ALA A 30 18.849 -1.182 4.192 1.00 0.00 C ATOM 417 C ALA A 30 18.789 -1.574 2.759 1.00 0.00 C ATOM 418 O ALA A 30 18.161 -0.888 1.941 1.00 0.00 O ATOM 419 CB ALA A 30 17.475 -0.829 4.739 1.00 0.00 C ATOM 0 H ALA A 30 19.245 0.804 4.001 1.00 0.00 H new ATOM 0 HA ALA A 30 19.202 -1.995 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 30 16.834 -1.710 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.571 -0.486 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 30 17.034 -0.038 4.133 1.00 0.00 H new ATOM 425 N GLY A 31 19.560 -2.581 2.477 1.00 0.00 N ATOM 426 CA GLY A 31 19.839 -3.199 1.142 1.00 0.00 C ATOM 427 C GLY A 31 18.671 -3.482 0.199 1.00 0.00 C ATOM 428 O GLY A 31 18.799 -4.311 -0.711 1.00 0.00 O ATOM 0 H GLY A 31 20.073 -3.060 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 31 20.536 -2.546 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 31 20.356 -4.142 1.318 1.00 0.00 H new ATOM 432 N LEU A 32 17.581 -2.843 0.392 1.00 0.00 N ATOM 433 CA LEU A 32 16.452 -3.000 -0.446 1.00 0.00 C ATOM 434 C LEU A 32 16.333 -1.764 -1.310 1.00 0.00 C ATOM 435 O LEU A 32 16.018 -1.856 -2.499 1.00 0.00 O ATOM 436 CB LEU A 32 15.190 -3.190 0.394 1.00 0.00 C ATOM 437 CG LEU A 32 15.240 -4.297 1.467 1.00 0.00 C ATOM 438 CD1 LEU A 32 13.861 -4.573 2.039 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.911 -5.580 0.954 1.00 0.00 C ATOM 0 H LEU A 32 17.444 -2.180 1.155 1.00 0.00 H new ATOM 0 HA LEU A 32 16.569 -3.883 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.963 -2.245 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.360 -3.405 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 32 15.866 -3.925 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.930 -5.358 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.468 -3.665 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.193 -4.895 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.921 -6.328 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.355 -5.965 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.934 -5.359 0.651 1.00 0.00 H new ATOM 451 N GLU A 33 16.646 -0.608 -0.699 1.00 0.00 N ATOM 452 CA GLU A 33 16.580 0.693 -1.342 1.00 0.00 C ATOM 453 C GLU A 33 15.273 0.947 -2.055 1.00 0.00 C ATOM 454 O GLU A 33 15.181 0.876 -3.297 1.00 0.00 O ATOM 455 CB GLU A 33 17.782 0.963 -2.227 1.00 0.00 C ATOM 456 CG GLU A 33 19.079 0.991 -1.458 1.00 0.00 C ATOM 457 CD GLU A 33 20.219 1.437 -2.295 1.00 0.00 C ATOM 458 OE1 GLU A 33 20.235 2.607 -2.707 1.00 0.00 O ATOM 459 OE2 GLU A 33 21.148 0.654 -2.516 1.00 0.00 O ATOM 0 H GLU A 33 16.956 -0.563 0.272 1.00 0.00 H new ATOM 0 HA GLU A 33 16.616 1.420 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.839 0.195 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.646 1.917 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.977 1.658 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.287 -0.004 -1.064 1.00 0.00 H new ATOM 466 N LYS A 34 14.255 1.191 -1.285 1.00 0.00 N ATOM 467 CA LYS A 34 12.971 1.430 -1.805 1.00 0.00 C ATOM 468 C LYS A 34 12.201 2.257 -0.821 1.00 0.00 C ATOM 469 O LYS A 34 12.766 2.742 0.161 1.00 0.00 O ATOM 470 CB LYS A 34 12.275 0.087 -2.111 1.00 0.00 C ATOM 471 CG LYS A 34 12.050 -0.829 -0.902 1.00 0.00 C ATOM 472 CD LYS A 34 11.697 -2.253 -1.337 1.00 0.00 C ATOM 473 CE LYS A 34 10.464 -2.309 -2.231 1.00 0.00 C ATOM 474 NZ LYS A 34 10.240 -3.669 -2.759 1.00 0.00 N ATOM 0 H LYS A 34 14.309 1.227 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 34 13.029 1.983 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.310 0.295 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.871 -0.452 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.949 -0.848 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.248 -0.427 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.545 -2.687 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.527 -2.867 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.589 -1.988 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.582 -1.611 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.479 -3.645 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.114 -4.018 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.969 -4.303 -1.981 1.00 0.00 H new ATOM 488 N LEU A 35 10.942 2.420 -1.096 1.00 0.00 N ATOM 489 CA LEU A 35 10.039 3.166 -0.259 1.00 0.00 C ATOM 490 C LEU A 35 9.918 2.500 1.100 1.00 0.00 C ATOM 491 O LEU A 35 10.094 1.289 1.225 1.00 0.00 O ATOM 492 CB LEU A 35 8.669 3.201 -0.949 1.00 0.00 C ATOM 493 CG LEU A 35 8.005 1.826 -1.172 1.00 0.00 C ATOM 494 CD1 LEU A 35 7.008 1.480 -0.102 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.410 1.711 -2.529 1.00 0.00 C ATOM 0 H LEU A 35 10.499 2.030 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 35 10.414 4.179 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.997 3.818 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.780 3.693 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 35 8.805 1.089 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.574 0.503 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.508 1.455 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.219 2.231 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.953 0.728 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.650 2.482 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.189 1.839 -3.280 1.00 0.00 H new ATOM 507 N GLY A 36 9.630 3.269 2.089 1.00 0.00 N ATOM 508 CA GLY A 36 9.394 2.733 3.382 1.00 0.00 C ATOM 509 C GLY A 36 7.990 3.010 3.786 1.00 0.00 C ATOM 510 O GLY A 36 7.698 3.234 4.942 1.00 0.00 O ATOM 0 H GLY A 36 9.551 4.284 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.578 1.659 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.084 3.174 4.101 1.00 0.00 H new ATOM 514 N ILE A 37 7.124 3.031 2.826 1.00 0.00 N ATOM 515 CA ILE A 37 5.746 3.286 3.087 1.00 0.00 C ATOM 516 C ILE A 37 5.068 2.031 3.559 1.00 0.00 C ATOM 517 O ILE A 37 4.803 1.111 2.786 1.00 0.00 O ATOM 518 CB ILE A 37 4.982 3.847 1.876 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.709 5.066 1.277 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.563 4.216 2.303 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.783 6.270 2.173 1.00 0.00 C ATOM 0 H ILE A 37 7.350 2.873 1.844 1.00 0.00 H new ATOM 0 HA ILE A 37 5.724 4.052 3.862 1.00 0.00 H new ATOM 0 HB ILE A 37 4.937 3.083 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.723 4.769 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.206 5.351 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.018 4.614 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.053 3.328 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.604 4.969 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.313 7.073 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.775 6.601 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.315 6.010 3.088 1.00 0.00 H new ATOM 533 N PHE A 38 4.836 1.984 4.812 1.00 0.00 N ATOM 534 CA PHE A 38 4.146 0.894 5.403 1.00 0.00 C ATOM 535 C PHE A 38 2.744 1.317 5.668 1.00 0.00 C ATOM 536 O PHE A 38 2.450 2.524 5.683 1.00 0.00 O ATOM 537 CB PHE A 38 4.821 0.467 6.700 1.00 0.00 C ATOM 538 CG PHE A 38 6.209 -0.093 6.503 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.385 -1.420 6.148 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.326 0.705 6.660 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.651 -1.939 5.955 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.596 0.195 6.467 1.00 0.00 C ATOM 543 CZ PHE A 38 8.759 -1.129 6.114 1.00 0.00 C ATOM 0 H PHE A 38 5.121 2.708 5.471 1.00 0.00 H new ATOM 0 HA PHE A 38 4.160 0.040 4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.876 1.325 7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.202 -0.283 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.522 -2.057 6.020 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.205 1.742 6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.774 -2.976 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.459 0.832 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.750 -1.531 5.962 1.00 0.00 H new ATOM 553 N VAL A 39 1.880 0.376 5.827 1.00 0.00 N ATOM 554 CA VAL A 39 0.535 0.676 6.183 1.00 0.00 C ATOM 555 C VAL A 39 0.540 1.069 7.648 1.00 0.00 C ATOM 556 O VAL A 39 1.060 0.345 8.485 1.00 0.00 O ATOM 557 CB VAL A 39 -0.403 -0.525 5.930 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.856 -0.149 6.205 1.00 0.00 C ATOM 559 CG2 VAL A 39 -0.234 -1.019 4.497 1.00 0.00 C ATOM 0 H VAL A 39 2.082 -0.617 5.715 1.00 0.00 H new ATOM 0 HA VAL A 39 0.154 1.490 5.567 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.134 -1.329 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.496 -1.011 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.960 0.164 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.151 0.670 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.898 -1.866 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.482 -0.216 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.799 -1.329 4.338 1.00 0.00 H new ATOM 569 N LYS A 40 0.041 2.227 7.934 1.00 0.00 N ATOM 570 CA LYS A 40 0.054 2.736 9.279 1.00 0.00 C ATOM 571 C LYS A 40 -1.186 2.307 10.010 1.00 0.00 C ATOM 572 O LYS A 40 -1.121 1.799 11.127 1.00 0.00 O ATOM 573 CB LYS A 40 0.173 4.264 9.264 1.00 0.00 C ATOM 574 CG LYS A 40 0.064 4.929 10.618 1.00 0.00 C ATOM 575 CD LYS A 40 1.082 4.398 11.599 1.00 0.00 C ATOM 576 CE LYS A 40 0.871 5.028 12.942 1.00 0.00 C ATOM 577 NZ LYS A 40 1.786 4.493 13.963 1.00 0.00 N ATOM 0 H LYS A 40 -0.387 2.850 7.249 1.00 0.00 H new ATOM 0 HA LYS A 40 0.919 2.328 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.131 4.534 8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.604 4.667 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.199 6.005 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.938 4.774 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.994 3.314 11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.090 4.611 11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.012 6.106 12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.159 4.864 13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.601 4.960 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.635 3.469 14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.769 4.672 13.676 1.00 0.00 H new ATOM 591 N THR A 41 -2.302 2.499 9.382 1.00 0.00 N ATOM 592 CA THR A 41 -3.555 2.190 9.978 1.00 0.00 C ATOM 593 C THR A 41 -4.489 1.819 8.864 1.00 0.00 C ATOM 594 O THR A 41 -4.259 2.192 7.705 1.00 0.00 O ATOM 595 CB THR A 41 -4.159 3.429 10.653 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.119 4.312 11.112 1.00 0.00 O ATOM 597 CG2 THR A 41 -5.014 3.037 11.848 1.00 0.00 C ATOM 0 H THR A 41 -2.366 2.877 8.437 1.00 0.00 H new ATOM 0 HA THR A 41 -3.418 1.398 10.714 1.00 0.00 H new ATOM 0 HB THR A 41 -4.777 3.933 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.521 5.097 11.538 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.430 3.934 12.308 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.826 2.389 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.400 2.507 12.576 1.00 0.00 H new ATOM 605 N VAL A 42 -5.514 1.126 9.184 1.00 0.00 N ATOM 606 CA VAL A 42 -6.526 0.793 8.240 1.00 0.00 C ATOM 607 C VAL A 42 -7.812 1.381 8.819 1.00 0.00 C ATOM 608 O VAL A 42 -7.777 1.922 9.930 1.00 0.00 O ATOM 609 CB VAL A 42 -6.650 -0.771 8.044 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.601 -1.139 6.914 1.00 0.00 C ATOM 611 CG2 VAL A 42 -5.297 -1.401 7.785 1.00 0.00 C ATOM 0 H VAL A 42 -5.683 0.765 10.123 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.301 1.192 7.251 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.059 -1.162 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.652 -2.224 6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.594 -0.747 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.239 -0.710 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.415 -2.477 7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.863 -0.972 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.638 -1.209 8.632 1.00 0.00 H new ATOM 621 N THR A 43 -8.898 1.323 8.091 1.00 0.00 N ATOM 622 CA THR A 43 -10.209 1.730 8.584 1.00 0.00 C ATOM 623 C THR A 43 -10.604 0.843 9.806 1.00 0.00 C ATOM 624 O THR A 43 -9.856 -0.072 10.194 1.00 0.00 O ATOM 625 CB THR A 43 -11.283 1.590 7.432 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.617 1.814 7.893 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.187 0.234 6.761 1.00 0.00 C ATOM 0 H THR A 43 -8.907 0.990 7.127 1.00 0.00 H new ATOM 0 HA THR A 43 -10.172 2.773 8.900 1.00 0.00 H new ATOM 0 HB THR A 43 -11.054 2.368 6.703 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.242 1.718 7.145 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.937 0.164 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.194 0.111 6.329 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.362 -0.550 7.498 1.00 0.00 H new ATOM 635 N GLU A 44 -11.756 1.119 10.385 1.00 0.00 N ATOM 636 CA GLU A 44 -12.314 0.359 11.487 1.00 0.00 C ATOM 637 C GLU A 44 -12.439 -1.112 11.104 1.00 0.00 C ATOM 638 O GLU A 44 -12.303 -2.013 11.938 1.00 0.00 O ATOM 639 CB GLU A 44 -13.679 0.942 11.827 1.00 0.00 C ATOM 640 CG GLU A 44 -14.596 1.015 10.619 1.00 0.00 C ATOM 641 CD GLU A 44 -15.959 1.580 10.911 1.00 0.00 C ATOM 642 OE1 GLU A 44 -16.111 2.815 10.975 1.00 0.00 O ATOM 643 OE2 GLU A 44 -16.918 0.801 11.062 1.00 0.00 O ATOM 0 H GLU A 44 -12.346 1.899 10.094 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.659 0.423 12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.149 0.333 12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.551 1.941 12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.119 1.625 9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.712 0.014 10.204 1.00 0.00 H new ATOM 650 N GLY A 45 -12.662 -1.337 9.839 1.00 0.00 N ATOM 651 CA GLY A 45 -12.765 -2.640 9.333 1.00 0.00 C ATOM 652 C GLY A 45 -12.770 -2.629 7.857 1.00 0.00 C ATOM 653 O GLY A 45 -11.739 -2.912 7.209 1.00 0.00 O ATOM 0 H GLY A 45 -12.775 -0.603 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.931 -3.242 9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.679 -3.107 9.701 1.00 0.00 H new ATOM 657 N GLY A 46 -13.883 -2.208 7.314 1.00 0.00 N ATOM 658 CA GLY A 46 -14.136 -2.251 5.956 1.00 0.00 C ATOM 659 C GLY A 46 -13.982 -3.613 5.379 1.00 0.00 C ATOM 660 O GLY A 46 -13.677 -4.609 6.052 1.00 0.00 O ATOM 0 H GLY A 46 -14.651 -1.814 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.149 -1.896 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.459 -1.567 5.444 1.00 0.00 H new ATOM 664 N ALA A 47 -14.159 -3.651 4.155 1.00 0.00 N ATOM 665 CA ALA A 47 -13.903 -4.833 3.377 1.00 0.00 C ATOM 666 C ALA A 47 -12.388 -5.079 3.278 1.00 0.00 C ATOM 667 O ALA A 47 -11.972 -6.078 2.777 1.00 0.00 O ATOM 668 CB ALA A 47 -14.528 -4.716 1.992 1.00 0.00 C ATOM 0 H ALA A 47 -14.496 -2.858 3.609 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.362 -5.687 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.321 -5.622 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.606 -4.586 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.105 -3.856 1.473 1.00 0.00 H new ATOM 674 N ALA A 48 -11.584 -4.138 3.816 1.00 0.00 N ATOM 675 CA ALA A 48 -10.121 -4.218 3.801 1.00 0.00 C ATOM 676 C ALA A 48 -9.640 -5.129 4.908 1.00 0.00 C ATOM 677 O ALA A 48 -9.016 -6.148 4.643 1.00 0.00 O ATOM 678 CB ALA A 48 -9.506 -2.833 3.958 1.00 0.00 C ATOM 0 H ALA A 48 -11.941 -3.299 4.274 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.807 -4.628 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.419 -2.914 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.833 -2.195 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.826 -2.398 4.905 1.00 0.00 H new ATOM 684 N GLN A 49 -9.958 -4.784 6.160 1.00 0.00 N ATOM 685 CA GLN A 49 -9.566 -5.633 7.273 1.00 0.00 C ATOM 686 C GLN A 49 -10.361 -6.918 7.281 1.00 0.00 C ATOM 687 O GLN A 49 -9.885 -7.958 7.751 1.00 0.00 O ATOM 688 CB GLN A 49 -9.640 -4.898 8.617 1.00 0.00 C ATOM 689 CG GLN A 49 -8.539 -3.871 8.766 1.00 0.00 C ATOM 690 CD GLN A 49 -8.448 -3.220 10.136 1.00 0.00 C ATOM 691 OE1 GLN A 49 -9.552 -2.989 10.777 1.00 0.00 O flip ATOM 692 NE2 GLN A 49 -7.360 -2.861 10.583 1.00 0.00 N flip ATOM 0 H GLN A 49 -10.473 -3.942 6.418 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.518 -5.897 7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.608 -4.406 8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.573 -5.622 9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.585 -4.349 8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.687 -3.091 8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.505 -3.054 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.312 -2.370 11.476 1.00 0.00 H new ATOM 701 N ARG A 50 -11.567 -6.865 6.737 1.00 0.00 N ATOM 702 CA ARG A 50 -12.358 -8.062 6.620 1.00 0.00 C ATOM 703 C ARG A 50 -11.909 -8.923 5.449 1.00 0.00 C ATOM 704 O ARG A 50 -12.220 -10.117 5.402 1.00 0.00 O ATOM 705 CB ARG A 50 -13.854 -7.772 6.612 1.00 0.00 C ATOM 706 CG ARG A 50 -14.338 -7.223 7.949 1.00 0.00 C ATOM 707 CD ARG A 50 -14.165 -8.253 9.062 1.00 0.00 C ATOM 708 NE ARG A 50 -14.445 -7.712 10.389 1.00 0.00 N ATOM 709 CZ ARG A 50 -14.178 -8.351 11.536 1.00 0.00 C ATOM 710 NH1 ARG A 50 -13.630 -9.563 11.515 1.00 0.00 N ATOM 711 NH2 ARG A 50 -14.455 -7.777 12.696 1.00 0.00 N ATOM 0 H ARG A 50 -12.006 -6.018 6.378 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.180 -8.653 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.080 -7.055 5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.399 -8.686 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.782 -6.319 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.388 -6.941 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.827 -9.098 8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.145 -8.636 9.040 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.872 -6.787 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.412 -10.009 10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.428 -10.047 12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.872 -6.847 12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.251 -8.265 13.568 1.00 0.00 H new ATOM 725 N ASP A 51 -11.187 -8.321 4.497 1.00 0.00 N ATOM 726 CA ASP A 51 -10.557 -9.105 3.410 1.00 0.00 C ATOM 727 C ASP A 51 -9.476 -9.982 4.018 1.00 0.00 C ATOM 728 O ASP A 51 -9.574 -11.209 4.010 1.00 0.00 O ATOM 729 CB ASP A 51 -9.944 -8.188 2.342 1.00 0.00 C ATOM 730 CG ASP A 51 -9.241 -8.931 1.232 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.070 -9.259 1.402 1.00 0.00 O ATOM 732 OD2 ASP A 51 -9.857 -9.151 0.153 1.00 0.00 O ATOM 0 H ASP A 51 -11.022 -7.316 4.449 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.318 -9.715 2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.732 -7.570 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.235 -7.512 2.820 1.00 0.00 H new ATOM 737 N GLY A 52 -8.468 -9.345 4.569 1.00 0.00 N ATOM 738 CA GLY A 52 -7.456 -10.066 5.296 1.00 0.00 C ATOM 739 C GLY A 52 -6.229 -10.434 4.494 1.00 0.00 C ATOM 740 O GLY A 52 -5.239 -10.881 5.068 1.00 0.00 O ATOM 0 H GLY A 52 -8.330 -8.335 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.146 -9.464 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.898 -10.979 5.694 1.00 0.00 H new ATOM 744 N ARG A 53 -6.258 -10.262 3.188 1.00 0.00 N ATOM 745 CA ARG A 53 -5.097 -10.608 2.376 1.00 0.00 C ATOM 746 C ARG A 53 -4.087 -9.450 2.490 1.00 0.00 C ATOM 747 O ARG A 53 -2.877 -9.622 2.295 1.00 0.00 O ATOM 748 CB ARG A 53 -5.554 -10.886 0.921 1.00 0.00 C ATOM 749 CG ARG A 53 -4.653 -11.785 0.062 1.00 0.00 C ATOM 750 CD ARG A 53 -3.379 -11.113 -0.406 1.00 0.00 C ATOM 751 NE ARG A 53 -2.603 -11.999 -1.291 1.00 0.00 N ATOM 752 CZ ARG A 53 -2.573 -11.929 -2.641 1.00 0.00 C ATOM 753 NH1 ARG A 53 -3.331 -11.047 -3.293 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.801 -12.758 -3.321 1.00 0.00 N ATOM 0 H ARG A 53 -7.054 -9.892 2.669 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.607 -11.518 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.545 -11.338 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.660 -9.928 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.393 -12.675 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.216 -12.120 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.624 -10.191 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.773 -10.835 0.457 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.041 -12.726 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.941 -10.416 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.300 -11.003 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.232 -13.446 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.774 -12.710 -4.340 1.00 0.00 H new ATOM 768 N ILE A 54 -4.611 -8.296 2.860 1.00 0.00 N ATOM 769 CA ILE A 54 -3.833 -7.100 3.128 1.00 0.00 C ATOM 770 C ILE A 54 -3.799 -6.929 4.665 1.00 0.00 C ATOM 771 O ILE A 54 -4.605 -7.579 5.372 1.00 0.00 O ATOM 772 CB ILE A 54 -4.505 -5.861 2.463 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.555 -4.658 2.452 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.804 -5.504 3.201 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.058 -3.495 1.630 1.00 0.00 C ATOM 0 H ILE A 54 -5.614 -8.161 2.986 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.826 -7.187 2.721 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.741 -6.116 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.394 -4.324 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.587 -4.974 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.265 -4.637 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.491 -6.349 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.579 -5.272 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.334 -2.681 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.192 -3.812 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.012 -3.151 2.031 1.00 0.00 H new ATOM 787 N GLN A 55 -2.914 -6.107 5.199 1.00 0.00 N ATOM 788 CA GLN A 55 -2.817 -5.961 6.636 1.00 0.00 C ATOM 789 C GLN A 55 -2.682 -4.487 7.028 1.00 0.00 C ATOM 790 O GLN A 55 -3.141 -3.597 6.322 1.00 0.00 O ATOM 791 CB GLN A 55 -1.617 -6.764 7.185 1.00 0.00 C ATOM 792 CG GLN A 55 -1.579 -8.222 6.796 1.00 0.00 C ATOM 793 CD GLN A 55 -0.471 -8.963 7.495 1.00 0.00 C ATOM 794 OE1 GLN A 55 -0.100 -8.630 8.630 1.00 0.00 O ATOM 795 NE2 GLN A 55 0.077 -9.949 6.845 1.00 0.00 N ATOM 0 H GLN A 55 -2.259 -5.537 4.664 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.734 -6.354 7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.697 -6.290 6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.624 -6.696 8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.535 -8.687 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.447 -8.306 5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.256 -10.193 5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.840 -10.478 7.268 1.00 0.00 H new ATOM 804 N VAL A 56 -2.121 -4.267 8.202 1.00 0.00 N ATOM 805 CA VAL A 56 -1.801 -2.949 8.691 1.00 0.00 C ATOM 806 C VAL A 56 -0.287 -2.932 9.028 1.00 0.00 C ATOM 807 O VAL A 56 0.220 -2.079 9.752 1.00 0.00 O ATOM 808 CB VAL A 56 -2.644 -2.626 9.970 1.00 0.00 C ATOM 809 CG1 VAL A 56 -2.267 -3.533 11.147 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.554 -1.146 10.347 1.00 0.00 C ATOM 0 H VAL A 56 -1.873 -5.015 8.850 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.034 -2.195 7.939 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.686 -2.835 9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.875 -3.276 12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.444 -4.574 10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.213 -3.395 11.389 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.152 -0.961 11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.515 -0.884 10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.931 -0.538 9.525 1.00 0.00 H new ATOM 820 N ASN A 57 0.425 -3.890 8.483 1.00 0.00 N ATOM 821 CA ASN A 57 1.846 -4.053 8.819 1.00 0.00 C ATOM 822 C ASN A 57 2.694 -4.236 7.561 1.00 0.00 C ATOM 823 O ASN A 57 3.935 -4.175 7.594 1.00 0.00 O ATOM 824 CB ASN A 57 2.005 -5.243 9.792 1.00 0.00 C ATOM 825 CG ASN A 57 3.415 -5.415 10.346 1.00 0.00 C ATOM 826 OD1 ASN A 57 4.230 -6.157 9.801 1.00 0.00 O ATOM 827 ND2 ASN A 57 3.699 -4.738 11.427 1.00 0.00 N ATOM 0 H ASN A 57 0.063 -4.567 7.812 1.00 0.00 H new ATOM 0 HA ASN A 57 2.205 -3.148 9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.313 -5.112 10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.715 -6.159 9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.625 -4.815 11.848 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.995 -4.133 11.849 1.00 0.00 H new ATOM 834 N ASP A 58 2.021 -4.388 6.463 1.00 0.00 N ATOM 835 CA ASP A 58 2.610 -4.630 5.169 1.00 0.00 C ATOM 836 C ASP A 58 3.050 -3.323 4.518 1.00 0.00 C ATOM 837 O ASP A 58 2.898 -2.229 5.096 1.00 0.00 O ATOM 838 CB ASP A 58 1.602 -5.371 4.279 1.00 0.00 C ATOM 839 CG ASP A 58 0.277 -4.675 4.246 1.00 0.00 C ATOM 840 OD1 ASP A 58 -0.366 -4.612 5.310 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.118 -4.193 3.213 1.00 0.00 O ATOM 0 H ASP A 58 1.002 -4.346 6.436 1.00 0.00 H new ATOM 0 HA ASP A 58 3.498 -5.250 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.998 -5.448 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.470 -6.388 4.648 1.00 0.00 H new ATOM 846 N GLN A 59 3.613 -3.436 3.343 1.00 0.00 N ATOM 847 CA GLN A 59 4.156 -2.310 2.637 1.00 0.00 C ATOM 848 C GLN A 59 3.476 -2.096 1.290 1.00 0.00 C ATOM 849 O GLN A 59 3.440 -3.000 0.453 1.00 0.00 O ATOM 850 CB GLN A 59 5.655 -2.506 2.447 1.00 0.00 C ATOM 851 CG GLN A 59 6.293 -1.460 1.559 1.00 0.00 C ATOM 852 CD GLN A 59 7.792 -1.499 1.560 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.422 -2.194 0.760 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.372 -0.725 2.431 1.00 0.00 N ATOM 0 H GLN A 59 3.707 -4.322 2.846 1.00 0.00 H new ATOM 0 HA GLN A 59 3.972 -1.417 3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.142 -2.489 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.833 -3.492 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.936 -1.596 0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.964 -0.472 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.809 -0.168 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.390 -0.676 2.471 1.00 0.00 H new ATOM 863 N ILE A 60 2.987 -0.894 1.080 1.00 0.00 N ATOM 864 CA ILE A 60 2.348 -0.523 -0.166 1.00 0.00 C ATOM 865 C ILE A 60 3.433 -0.345 -1.237 1.00 0.00 C ATOM 866 O ILE A 60 4.254 0.549 -1.142 1.00 0.00 O ATOM 867 CB ILE A 60 1.608 0.832 -0.043 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.541 0.813 1.070 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.979 1.185 -1.366 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.554 -0.221 0.882 1.00 0.00 C ATOM 0 H ILE A 60 3.021 -0.143 1.770 1.00 0.00 H new ATOM 0 HA ILE A 60 1.634 -1.306 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 60 2.342 1.590 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.035 0.630 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.083 1.800 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.458 2.139 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.754 1.263 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.269 0.409 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.258 -0.161 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.079 -0.029 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.113 -1.217 0.853 1.00 0.00 H new ATOM 882 N VAL A 61 3.428 -1.177 -2.234 1.00 0.00 N ATOM 883 CA VAL A 61 4.443 -1.108 -3.275 1.00 0.00 C ATOM 884 C VAL A 61 3.919 -0.352 -4.507 1.00 0.00 C ATOM 885 O VAL A 61 4.557 0.578 -5.025 1.00 0.00 O ATOM 886 CB VAL A 61 4.891 -2.542 -3.647 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.898 -2.563 -4.763 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.431 -3.264 -2.421 1.00 0.00 C ATOM 0 H VAL A 61 2.737 -1.917 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 61 5.303 -0.554 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 61 4.009 -3.068 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.177 -3.594 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.464 -2.107 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.784 -2.003 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.742 -4.271 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.286 -2.717 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.652 -3.322 -1.660 1.00 0.00 H new ATOM 898 N GLU A 62 2.759 -0.725 -4.945 1.00 0.00 N ATOM 899 CA GLU A 62 2.142 -0.141 -6.102 1.00 0.00 C ATOM 900 C GLU A 62 0.644 -0.203 -5.947 1.00 0.00 C ATOM 901 O GLU A 62 0.076 -1.264 -5.873 1.00 0.00 O ATOM 902 CB GLU A 62 2.586 -0.896 -7.361 1.00 0.00 C ATOM 903 CG GLU A 62 1.815 -0.538 -8.613 1.00 0.00 C ATOM 904 CD GLU A 62 2.251 -1.337 -9.794 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.409 -1.179 -10.219 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.437 -2.093 -10.346 1.00 0.00 O ATOM 0 H GLU A 62 2.201 -1.456 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 62 2.446 0.901 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.644 -0.699 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.486 -1.966 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.751 -0.700 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.946 0.523 -8.827 1.00 0.00 H new ATOM 913 N VAL A 63 0.010 0.921 -5.850 1.00 0.00 N ATOM 914 CA VAL A 63 -1.407 0.936 -5.725 1.00 0.00 C ATOM 915 C VAL A 63 -2.041 1.472 -6.974 1.00 0.00 C ATOM 916 O VAL A 63 -1.584 2.472 -7.516 1.00 0.00 O ATOM 917 CB VAL A 63 -1.844 1.704 -4.460 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.239 2.216 -4.594 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.801 0.766 -3.295 1.00 0.00 C ATOM 0 H VAL A 63 0.453 1.840 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.759 -0.088 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.170 2.549 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.518 2.753 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.298 2.891 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.921 1.379 -4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.107 1.293 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.478 -0.069 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.786 0.389 -3.169 1.00 0.00 H new ATOM 929 N ASP A 64 -2.993 0.702 -7.494 1.00 0.00 N ATOM 930 CA ASP A 64 -3.837 1.054 -8.668 1.00 0.00 C ATOM 931 C ASP A 64 -3.060 0.996 -9.979 1.00 0.00 C ATOM 932 O ASP A 64 -3.628 0.981 -11.056 1.00 0.00 O ATOM 933 CB ASP A 64 -4.551 2.422 -8.468 1.00 0.00 C ATOM 934 CG ASP A 64 -5.482 2.819 -9.606 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.675 2.430 -9.583 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.052 3.557 -10.517 1.00 0.00 O ATOM 0 H ASP A 64 -3.218 -0.216 -7.109 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.614 0.293 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.124 2.387 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.795 3.198 -8.346 1.00 0.00 H new ATOM 941 N GLY A 65 -1.790 0.835 -9.853 1.00 0.00 N ATOM 942 CA GLY A 65 -0.911 0.875 -10.976 1.00 0.00 C ATOM 943 C GLY A 65 -0.203 2.201 -11.050 1.00 0.00 C ATOM 944 O GLY A 65 0.411 2.529 -12.055 1.00 0.00 O ATOM 0 H GLY A 65 -1.324 0.670 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.180 0.070 -10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.476 0.707 -11.893 1.00 0.00 H new ATOM 948 N ILE A 66 -0.281 2.971 -9.962 1.00 0.00 N ATOM 949 CA ILE A 66 0.361 4.271 -9.903 1.00 0.00 C ATOM 950 C ILE A 66 1.886 4.092 -9.726 1.00 0.00 C ATOM 951 O ILE A 66 2.669 5.007 -9.990 1.00 0.00 O ATOM 952 CB ILE A 66 -0.228 5.147 -8.729 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.180 6.626 -9.116 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.552 4.918 -7.426 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.831 7.550 -8.115 1.00 0.00 C ATOM 0 H ILE A 66 -0.784 2.710 -9.114 1.00 0.00 H new ATOM 0 HA ILE A 66 0.165 4.794 -10.839 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.263 4.849 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.861 6.923 -9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.669 6.753 -10.082 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.126 5.533 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.488 3.867 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.597 5.191 -7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.753 8.579 -8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.882 7.283 -8.003 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.329 7.456 -7.152 1.00 0.00 H new ATOM 967 N SER A 67 2.259 2.871 -9.300 1.00 0.00 N ATOM 968 CA SER A 67 3.609 2.462 -8.997 1.00 0.00 C ATOM 969 C SER A 67 4.334 3.503 -8.151 1.00 0.00 C ATOM 970 O SER A 67 5.042 4.355 -8.658 1.00 0.00 O ATOM 971 CB SER A 67 4.331 2.184 -10.275 1.00 0.00 C ATOM 972 OG SER A 67 3.609 1.267 -11.096 1.00 0.00 O ATOM 0 H SER A 67 1.583 2.121 -9.157 1.00 0.00 H new ATOM 0 HA SER A 67 3.582 1.550 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.484 3.117 -10.818 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.318 1.777 -10.055 1.00 0.00 H new ATOM 0 HG SER A 67 3.869 0.350 -10.869 1.00 0.00 H new ATOM 978 N LEU A 68 4.140 3.434 -6.865 1.00 0.00 N ATOM 979 CA LEU A 68 4.692 4.428 -5.955 1.00 0.00 C ATOM 980 C LEU A 68 6.038 3.980 -5.427 1.00 0.00 C ATOM 981 O LEU A 68 6.506 4.435 -4.389 1.00 0.00 O ATOM 982 CB LEU A 68 3.738 4.665 -4.809 1.00 0.00 C ATOM 983 CG LEU A 68 3.392 3.443 -4.002 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.638 3.703 -2.537 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.964 3.068 -4.259 1.00 0.00 C ATOM 0 H LEU A 68 3.601 2.698 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 68 4.830 5.360 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.173 5.410 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.817 5.092 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 68 4.027 2.609 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.384 2.812 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.689 3.948 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.019 4.537 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.710 2.183 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.313 3.893 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.829 2.855 -5.319 1.00 0.00 H new ATOM 997 N VAL A 69 6.632 3.088 -6.150 1.00 0.00 N ATOM 998 CA VAL A 69 7.943 2.564 -5.857 1.00 0.00 C ATOM 999 C VAL A 69 8.980 3.689 -5.672 1.00 0.00 C ATOM 1000 O VAL A 69 9.409 4.322 -6.631 1.00 0.00 O ATOM 1001 CB VAL A 69 8.419 1.562 -6.941 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.797 1.001 -6.605 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.411 0.434 -7.090 1.00 0.00 C ATOM 0 H VAL A 69 6.213 2.686 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 69 7.858 2.024 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 69 8.496 2.097 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.105 0.302 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.517 1.817 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.755 0.483 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.756 -0.263 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.308 -0.090 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.445 0.845 -7.384 1.00 0.00 H new ATOM 1013 N GLY A 70 9.276 3.988 -4.421 1.00 0.00 N ATOM 1014 CA GLY A 70 10.307 4.943 -4.092 1.00 0.00 C ATOM 1015 C GLY A 70 9.795 6.357 -3.864 1.00 0.00 C ATOM 1016 O GLY A 70 10.563 7.315 -3.982 1.00 0.00 O ATOM 0 H GLY A 70 8.810 3.577 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.825 4.607 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.042 4.960 -4.897 1.00 0.00 H new ATOM 1020 N VAL A 71 8.518 6.501 -3.550 1.00 0.00 N ATOM 1021 CA VAL A 71 7.939 7.830 -3.301 1.00 0.00 C ATOM 1022 C VAL A 71 7.972 8.178 -1.806 1.00 0.00 C ATOM 1023 O VAL A 71 8.457 7.391 -0.983 1.00 0.00 O ATOM 1024 CB VAL A 71 6.475 7.926 -3.797 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.381 7.582 -5.275 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.555 7.041 -2.957 1.00 0.00 C ATOM 0 H VAL A 71 7.860 5.727 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 71 8.550 8.539 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 71 6.141 8.956 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.343 7.656 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.992 8.277 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.740 6.565 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.533 7.126 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.882 6.004 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.593 7.361 -1.916 1.00 0.00 H new ATOM 1036 N THR A 72 7.450 9.342 -1.466 1.00 0.00 N ATOM 1037 CA THR A 72 7.370 9.770 -0.091 1.00 0.00 C ATOM 1038 C THR A 72 5.999 9.505 0.460 1.00 0.00 C ATOM 1039 O THR A 72 5.091 9.042 -0.265 1.00 0.00 O ATOM 1040 CB THR A 72 7.666 11.274 0.054 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.832 12.037 -0.847 1.00 0.00 O ATOM 1042 CG2 THR A 72 9.128 11.578 -0.173 1.00 0.00 C ATOM 0 H THR A 72 7.072 10.012 -2.136 1.00 0.00 H new ATOM 0 HA THR A 72 8.119 9.204 0.463 1.00 0.00 H new ATOM 0 HB THR A 72 7.432 11.566 1.078 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.355 12.768 -1.237 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.298 12.649 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.730 11.037 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.412 11.267 -1.178 1.00 0.00 H new ATOM 1050 N GLN A 73 5.818 9.839 1.721 1.00 0.00 N ATOM 1051 CA GLN A 73 4.552 9.646 2.369 1.00 0.00 C ATOM 1052 C GLN A 73 3.501 10.566 1.762 1.00 0.00 C ATOM 1053 O GLN A 73 2.341 10.245 1.767 1.00 0.00 O ATOM 1054 CB GLN A 73 4.653 9.778 3.923 1.00 0.00 C ATOM 1055 CG GLN A 73 4.123 11.069 4.560 1.00 0.00 C ATOM 1056 CD GLN A 73 4.931 12.299 4.234 1.00 0.00 C ATOM 1057 OE1 GLN A 73 6.213 12.152 4.097 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 4.385 13.394 4.148 1.00 0.00 N flip ATOM 0 H GLN A 73 6.540 10.247 2.314 1.00 0.00 H new ATOM 0 HA GLN A 73 4.232 8.620 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.117 8.939 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.701 9.671 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.095 11.226 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.097 10.942 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.374 13.470 4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.942 14.228 3.963 1.00 0.00 H new ATOM 1067 N ASN A 74 3.950 11.691 1.182 1.00 0.00 N ATOM 1068 CA ASN A 74 3.041 12.656 0.543 1.00 0.00 C ATOM 1069 C ASN A 74 2.368 11.992 -0.600 1.00 0.00 C ATOM 1070 O ASN A 74 1.146 12.027 -0.728 1.00 0.00 O ATOM 1071 CB ASN A 74 3.776 13.877 -0.038 1.00 0.00 C ATOM 1072 CG ASN A 74 4.663 14.586 0.928 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.230 15.479 1.662 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.922 14.239 0.890 1.00 0.00 N ATOM 0 H ASN A 74 4.935 11.954 1.143 1.00 0.00 H new ATOM 0 HA ASN A 74 2.348 12.991 1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.374 13.553 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.037 14.583 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.600 14.714 1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.227 13.493 0.264 1.00 0.00 H new ATOM 1081 N PHE A 75 3.177 11.339 -1.415 1.00 0.00 N ATOM 1082 CA PHE A 75 2.687 10.724 -2.605 1.00 0.00 C ATOM 1083 C PHE A 75 1.799 9.540 -2.243 1.00 0.00 C ATOM 1084 O PHE A 75 0.680 9.408 -2.747 1.00 0.00 O ATOM 1085 CB PHE A 75 3.840 10.279 -3.502 1.00 0.00 C ATOM 1086 CG PHE A 75 3.411 9.790 -4.869 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.906 8.509 -5.046 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.517 10.615 -5.975 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.518 8.065 -6.281 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.129 10.173 -7.223 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.629 8.896 -7.377 1.00 0.00 C ATOM 0 H PHE A 75 4.179 11.229 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 75 2.097 11.453 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.531 11.113 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.390 9.483 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.818 7.851 -4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.908 11.615 -5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.125 7.066 -6.398 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.217 10.826 -8.079 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.325 8.548 -8.353 1.00 0.00 H new ATOM 1101 N ALA A 76 2.290 8.702 -1.343 1.00 0.00 N ATOM 1102 CA ALA A 76 1.559 7.518 -0.928 1.00 0.00 C ATOM 1103 C ALA A 76 0.231 7.868 -0.242 1.00 0.00 C ATOM 1104 O ALA A 76 -0.789 7.244 -0.504 1.00 0.00 O ATOM 1105 CB ALA A 76 2.414 6.654 -0.046 1.00 0.00 C ATOM 0 H ALA A 76 3.194 8.822 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 76 1.309 6.955 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.850 5.771 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.305 6.346 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.708 7.217 0.840 1.00 0.00 H new ATOM 1111 N ALA A 77 0.236 8.901 0.590 1.00 0.00 N ATOM 1112 CA ALA A 77 -0.982 9.342 1.278 1.00 0.00 C ATOM 1113 C ALA A 77 -1.961 9.947 0.287 1.00 0.00 C ATOM 1114 O ALA A 77 -3.144 10.088 0.569 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.656 10.343 2.374 1.00 0.00 C ATOM 0 H ALA A 77 1.066 9.452 0.808 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.444 8.469 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.576 10.654 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.009 9.880 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.167 11.214 1.938 1.00 0.00 H new ATOM 1121 N THR A 78 -1.456 10.312 -0.862 1.00 0.00 N ATOM 1122 CA THR A 78 -2.263 10.831 -1.912 1.00 0.00 C ATOM 1123 C THR A 78 -2.887 9.680 -2.733 1.00 0.00 C ATOM 1124 O THR A 78 -4.099 9.686 -2.993 1.00 0.00 O ATOM 1125 CB THR A 78 -1.446 11.794 -2.799 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.011 12.923 -2.010 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.256 12.276 -3.982 1.00 0.00 C ATOM 0 H THR A 78 -0.463 10.253 -1.088 1.00 0.00 H new ATOM 0 HA THR A 78 -3.082 11.405 -1.478 1.00 0.00 H new ATOM 0 HB THR A 78 -0.580 11.254 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.145 12.721 -1.599 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.651 12.952 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.559 11.422 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.142 12.802 -3.626 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.079 8.688 -3.121 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.605 7.547 -3.844 1.00 0.00 C ATOM 1137 C VAL A 79 -3.626 6.735 -3.024 1.00 0.00 C ATOM 1138 O VAL A 79 -4.730 6.508 -3.489 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.524 6.653 -4.497 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -0.533 6.256 -3.527 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -2.146 5.454 -5.159 1.00 0.00 C ATOM 0 H VAL A 79 -1.075 8.659 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.152 7.983 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.022 7.236 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.217 5.628 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.052 7.143 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.013 5.696 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.365 4.842 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.684 4.866 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.840 5.784 -5.932 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.290 6.397 -1.772 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.207 5.615 -0.893 1.00 0.00 C ATOM 1153 C LEU A 80 -5.460 6.411 -0.516 1.00 0.00 C ATOM 1154 O LEU A 80 -6.420 5.876 0.033 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.508 5.100 0.389 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.560 3.882 0.263 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.274 2.713 -0.362 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.319 4.199 -0.525 1.00 0.00 C ATOM 0 H LEU A 80 -2.401 6.644 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.509 4.750 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.936 5.926 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.283 4.846 1.112 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.252 3.621 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.589 1.868 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.126 2.433 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.625 2.990 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.689 3.312 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.597 4.514 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.770 5.002 -0.032 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.424 7.681 -0.791 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.543 8.559 -0.576 1.00 0.00 C ATOM 1172 C ARG A 81 -7.472 8.481 -1.779 1.00 0.00 C ATOM 1173 O ARG A 81 -8.674 8.299 -1.650 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.023 9.976 -0.473 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.070 11.035 -0.280 1.00 0.00 C ATOM 1176 CD ARG A 81 -6.476 12.397 -0.540 1.00 0.00 C ATOM 1177 NE ARG A 81 -7.420 13.455 -0.229 1.00 0.00 N ATOM 1178 CZ ARG A 81 -7.131 14.743 -0.081 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -5.900 15.195 -0.281 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -8.090 15.585 0.256 1.00 0.00 N ATOM 0 H ARG A 81 -4.603 8.147 -1.178 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.075 8.273 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.321 10.028 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.461 10.205 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.907 10.859 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.464 10.988 0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.575 12.523 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.176 12.471 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.397 13.184 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.158 14.550 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.696 16.187 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.041 15.244 0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.880 16.576 0.373 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.870 8.545 -2.939 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.582 8.675 -4.204 1.00 0.00 C ATOM 1196 C ASN A 82 -8.162 7.386 -4.727 1.00 0.00 C ATOM 1197 O ASN A 82 -8.948 7.396 -5.679 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.682 9.316 -5.252 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.737 10.812 -5.196 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.540 11.434 -5.889 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.913 11.400 -4.390 1.00 0.00 N ATOM 0 H ASN A 82 -5.856 8.508 -3.043 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.437 9.319 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.655 8.985 -5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.982 8.979 -6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.914 12.417 -4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.263 10.846 -3.832 1.00 0.00 H new ATOM 1208 N THR A 83 -7.786 6.297 -4.136 1.00 0.00 N ATOM 1209 CA THR A 83 -8.247 5.007 -4.555 1.00 0.00 C ATOM 1210 C THR A 83 -9.720 4.795 -4.281 1.00 0.00 C ATOM 1211 O THR A 83 -10.238 5.185 -3.223 1.00 0.00 O ATOM 1212 CB THR A 83 -7.447 3.942 -3.875 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.319 4.276 -2.486 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.094 3.830 -4.503 1.00 0.00 C ATOM 0 H THR A 83 -7.145 6.275 -3.343 1.00 0.00 H new ATOM 0 HA THR A 83 -8.111 4.951 -5.635 1.00 0.00 H new ATOM 0 HB THR A 83 -7.953 2.982 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.208 4.428 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.522 3.051 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.202 3.575 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.570 4.782 -4.411 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.381 4.154 -5.215 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.806 3.921 -5.127 1.00 0.00 C ATOM 1224 C LYS A 84 -12.169 2.536 -5.509 1.00 0.00 C ATOM 1225 O LYS A 84 -11.591 1.991 -6.437 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.604 4.904 -5.981 1.00 0.00 C ATOM 1227 CG LYS A 84 -12.646 6.303 -5.434 1.00 0.00 C ATOM 1228 CD LYS A 84 -13.274 6.295 -4.062 1.00 0.00 C ATOM 1229 CE LYS A 84 -13.373 7.703 -3.507 1.00 0.00 C ATOM 1230 NZ LYS A 84 -13.937 7.738 -2.144 1.00 0.00 N ATOM 0 H LYS A 84 -9.948 3.778 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.066 4.076 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.174 4.930 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.625 4.535 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.637 6.713 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.217 6.948 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.267 5.849 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.681 5.675 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.382 8.156 -3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.994 8.307 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.858 8.701 -1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.938 7.459 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.413 7.079 -1.534 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.143 2.004 -4.771 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.719 0.708 -4.938 1.00 0.00 C ATOM 1246 C GLY A 85 -12.723 -0.368 -5.088 1.00 0.00 C ATOM 1247 O GLY A 85 -12.229 -0.923 -4.130 1.00 0.00 O ATOM 0 H GLY A 85 -13.564 2.515 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.352 0.488 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.365 0.718 -5.816 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.364 -0.561 -6.267 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.496 -1.672 -6.648 1.00 0.00 C ATOM 1253 C ASN A 86 -10.087 -1.217 -6.760 1.00 0.00 C ATOM 1254 O ASN A 86 -9.685 -0.582 -7.749 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.936 -2.393 -7.925 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.225 -3.186 -7.759 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.136 -2.782 -7.039 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.301 -4.341 -8.374 1.00 0.00 N ATOM 0 H ASN A 86 -12.645 0.034 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.579 -2.408 -5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.070 -1.659 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.142 -3.068 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.129 -4.926 -8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.532 -4.655 -8.966 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.335 -1.522 -5.760 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.999 -1.048 -5.659 1.00 0.00 C ATOM 1267 C VAL A 87 -7.001 -2.172 -5.773 1.00 0.00 C ATOM 1268 O VAL A 87 -7.069 -3.120 -5.022 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.790 -0.363 -4.314 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.422 0.242 -4.248 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.868 0.661 -4.059 1.00 0.00 C ATOM 0 H VAL A 87 -9.632 -2.112 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.842 -0.347 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.863 -1.110 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.285 0.728 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.672 -0.540 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.311 0.978 -5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.697 1.136 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.845 1.417 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.842 0.171 -4.055 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.073 -2.065 -6.698 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.028 -3.046 -6.790 1.00 0.00 C ATOM 1283 C ARG A 88 -3.885 -2.654 -5.919 1.00 0.00 C ATOM 1284 O ARG A 88 -3.147 -1.722 -6.234 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.513 -3.271 -8.203 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.489 -3.938 -9.130 1.00 0.00 C ATOM 1287 CD ARG A 88 -6.410 -2.949 -9.833 1.00 0.00 C ATOM 1288 NE ARG A 88 -5.659 -1.952 -10.627 1.00 0.00 N ATOM 1289 CZ ARG A 88 -5.873 -1.667 -11.924 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -6.802 -2.321 -12.609 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -5.161 -0.717 -12.523 1.00 0.00 N ATOM 0 H ARG A 88 -6.025 -1.315 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.473 -3.985 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.229 -2.309 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.608 -3.877 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.939 -4.510 -9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.091 -4.649 -8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.092 -3.492 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.021 -2.434 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.917 -1.438 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.358 -3.044 -12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.960 -2.101 -13.592 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.452 -0.204 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.324 -0.501 -13.507 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.768 -3.304 -4.816 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.662 -3.084 -3.939 1.00 0.00 C ATOM 1307 C PHE A 89 -1.613 -4.082 -4.281 1.00 0.00 C ATOM 1308 O PHE A 89 -1.727 -5.235 -3.932 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.035 -3.289 -2.474 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.097 -2.397 -1.934 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -5.424 -2.745 -2.029 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -3.765 -1.225 -1.300 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -6.400 -1.928 -1.506 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -4.739 -0.411 -0.773 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.060 -0.767 -0.881 1.00 0.00 C ATOM 0 H PHE A 89 -4.434 -4.005 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.326 -2.055 -4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.357 -4.322 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.137 -3.157 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.702 -3.667 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.727 -0.940 -1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.439 -2.209 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.465 0.507 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.828 -0.128 -0.471 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.645 -3.687 -5.004 1.00 0.00 N ATOM 1326 CA VAL A 90 0.416 -4.574 -5.317 1.00 0.00 C ATOM 1327 C VAL A 90 1.438 -4.417 -4.217 1.00 0.00 C ATOM 1328 O VAL A 90 2.191 -3.457 -4.181 1.00 0.00 O ATOM 1329 CB VAL A 90 1.043 -4.288 -6.698 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.170 -5.270 -7.007 1.00 0.00 C ATOM 1331 CG2 VAL A 90 -0.014 -4.333 -7.789 1.00 0.00 C ATOM 0 H VAL A 90 -0.557 -2.750 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 90 0.042 -5.596 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 90 1.468 -3.285 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.592 -5.043 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.947 -5.182 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.777 -6.287 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.450 -4.129 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.474 -5.321 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.777 -3.582 -7.587 1.00 0.00 H new ATOM 1341 N ILE A 91 1.302 -5.249 -3.252 1.00 0.00 N ATOM 1342 CA ILE A 91 2.142 -5.323 -2.092 1.00 0.00 C ATOM 1343 C ILE A 91 2.976 -6.587 -2.212 1.00 0.00 C ATOM 1344 O ILE A 91 2.672 -7.437 -3.032 1.00 0.00 O ATOM 1345 CB ILE A 91 1.204 -5.333 -0.846 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.504 -3.978 -0.772 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.915 -5.679 0.480 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.571 -3.915 0.219 1.00 0.00 C ATOM 0 H ILE A 91 0.557 -5.945 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 91 2.826 -4.480 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 91 0.480 -6.137 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.243 -3.211 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.094 -3.739 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.192 -5.664 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.359 -6.672 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.697 -4.946 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.017 -2.920 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.332 -4.657 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.165 -4.121 1.210 1.00 0.00 H new ATOM 1360 N GLY A 92 4.023 -6.707 -1.456 1.00 0.00 N ATOM 1361 CA GLY A 92 4.836 -7.851 -1.606 1.00 0.00 C ATOM 1362 C GLY A 92 5.208 -8.489 -0.302 1.00 0.00 C ATOM 1363 O GLY A 92 5.142 -7.848 0.748 1.00 0.00 O ATOM 0 H GLY A 92 4.322 -6.038 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.313 -8.581 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.745 -7.575 -2.140 1.00 0.00 H new ATOM 1367 N ARG A 93 5.591 -9.736 -0.375 1.00 0.00 N ATOM 1368 CA ARG A 93 6.043 -10.495 0.767 1.00 0.00 C ATOM 1369 C ARG A 93 7.502 -10.840 0.598 1.00 0.00 C ATOM 1370 O ARG A 93 7.930 -11.215 -0.494 1.00 0.00 O ATOM 1371 CB ARG A 93 5.222 -11.760 0.927 1.00 0.00 C ATOM 1372 CG ARG A 93 5.759 -12.712 1.972 1.00 0.00 C ATOM 1373 CD ARG A 93 4.811 -13.833 2.178 1.00 0.00 C ATOM 1374 NE ARG A 93 5.418 -14.954 2.900 1.00 0.00 N ATOM 1375 CZ ARG A 93 4.772 -15.797 3.718 1.00 0.00 C ATOM 1376 NH1 ARG A 93 3.491 -15.596 4.031 1.00 0.00 N ATOM 1377 NH2 ARG A 93 5.417 -16.838 4.233 1.00 0.00 N ATOM 0 H ARG A 93 5.599 -10.266 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 93 5.916 -9.890 1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.200 -11.487 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.178 -12.276 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.729 -13.099 1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.916 -12.182 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.944 -13.474 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.449 -14.181 1.211 1.00 0.00 H new ATOM 0 HE ARG A 93 6.418 -15.106 2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.992 -14.794 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.011 -16.245 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.399 -16.993 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.930 -17.482 4.856 1.00 0.00 H new ATOM 1391 N GLU A 94 8.250 -10.713 1.646 1.00 0.00 N ATOM 1392 CA GLU A 94 9.652 -10.975 1.614 1.00 0.00 C ATOM 1393 C GLU A 94 9.962 -12.336 2.197 1.00 0.00 C ATOM 1394 O GLU A 94 10.882 -13.015 1.707 1.00 0.00 O ATOM 1395 CB GLU A 94 10.459 -9.803 2.231 1.00 0.00 C ATOM 1396 CG GLU A 94 10.128 -9.367 3.678 1.00 0.00 C ATOM 1397 CD GLU A 94 10.682 -10.264 4.775 1.00 0.00 C ATOM 1398 OE1 GLU A 94 11.887 -10.594 4.744 1.00 0.00 O ATOM 1399 OE2 GLU A 94 9.935 -10.618 5.711 1.00 0.00 O ATOM 0 H GLU A 94 7.900 -10.421 2.559 1.00 0.00 H new ATOM 0 HA GLU A 94 9.983 -11.026 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.515 -10.072 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.331 -8.935 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.509 -8.357 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.044 -9.318 3.785 1.00 0.00 H new TER 1406 GLU A 94